3-[(5-Methyl-2-furanyl)methyl]-1H-pyrrole

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  • Identifiers

    CAS number
    118248-37-6

    Molecular formula
    C10H11NO

    SMILES
    CC1=CC=C(O1)CC2=CNC=C2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 62.42%
    Roasted 54.64%
    Green 48.2%
    Floral 45.23%
    Burnt 44.52%
    Earthy 42.93%
    Nutty 38.79%
    Meaty 34.66%
    Coffee 33.41%
    Animal 31.1%

     

    Flavor
    Coffee 48.77%
    Green 42.98%
    Roasted 41.37%
    Fruity 39.59%
    Nutty 39.57%
    Earthy 38.0%
    Vegetable 37.81%
    Waxy 31.79%
    Meaty 30.69%
    Musty 29.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.76 (neutral)

    Molecular weight
    161.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 136.07 ˚C est.

  • Synonyms

    • 3-[(5-Methyl-2-furanyl)methyl]-1H-pyrrole
    • 3-(5-methylfurfuryl)pyrrole
    • 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole
    • 118248-37-6
    • 2-Methyl-5-(3-pyrrolylmethyl)furan
    • 1H-Pyrrole, 3-[(5-methyl-2-furanyl)methyl]-
    • SLR7LHY5AQ
    • CHEBI:134432
    • WKJYTIFWOMZIGZ-UHFFFAOYSA-N
    • DTXSID601260780
    • AKOS006373230
    • 118248-37-6

  • Applications

    3-[(5-Methyl-2-furanyl)methyl]-1H-pyrrole (CAS 118248-37-6) is commonly regarded as a fragrance-related compound and can function as an odorant in perfumery, cosmetics, and household-care formulations. It may also serve as a useful intermediate or building block for the synthesis of pharmaceuticals and agrochemicals. In industrial contexts, it can act as a precursor for polymers and other functional materials, and may appear in coatings or inks as a fragrance additive or chemical intermediate. There is also potential for exploration in organic electronics as a building block for advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 464.31
    methanol 708.96
    isopropanol 260.93
    water 20.36
    ethyl acetate 138.97
    n-propanol 325.62
    acetone 224.73
    n-butanol 249.12
    acetonitrile 156.67
    DMF 593.57
    toluene 48.1
    isobutanol 222.73
    1,4-dioxane 416.18
    methyl acetate 200.92
    THF 327.67
    2-butanone 188.85
    n-pentanol 204.56
    sec-butanol 226.72
    n-hexane 4.82
    ethylene glycol 337.66
    NMP 229.6
    cyclohexane 7.45
    DMSO 410.96
    n-butyl acetate 60.1
    n-octanol 66.92
    chloroform 264.9
    n-propyl acetate 69.41
    acetic acid 276.6
    dichloromethane 189.14
    cyclohexanone 143.49
    propylene glycol 452.86
    isopropyl acetate 66.04
    DMAc 664.99
    2-ethoxyethanol 419.96
    isopentanol 188.9
    n-heptane 5.45
    ethyl formate 104.5
    1,2-dichloroethane 89.34
    n-hexanol 125.91
    2-methoxyethanol 620.2
    isobutyl acetate 61.03
    tetrachloromethane 27.38
    n-pentyl acetate 44.9
    transcutol 659.45
    n-heptanol 60.76
    ethylbenzene 24.08
    MIBK 68.26
    2-propoxyethanol 299.9
    tert-butanol 217.31
    MTBE 125.86
    2-butoxyethanol 141.35
    propionic acid 218.03
    o-xylene 34.31
    formic acid 237.01
    diethyl ether 116.63
    m-xylene 33.66
    p-xylene 38.36
    chlorobenzene 60.68
    dimethyl carbonate 97.72
    n-octane 2.53
    formamide 275.51
    cyclopentanone 162.0
    2-pentanone 109.01
    anisole 112.19
    cyclopentyl methyl ether 108.11
    gamma-butyrolactone 180.94
    1-methoxy-2-propanol 390.85
    pyridine 214.15
    3-pentanone 94.12
    furfural 224.55
    n-dodecane 3.46
    diethylene glycol 334.97
    diisopropyl ether 25.37
    tert-amyl alcohol 170.88
    acetylacetone 117.45
    n-hexadecane 3.79
    acetophenone 94.87
    methyl propionate 151.59
    isopentyl acetate 62.9
    trichloroethylene 205.89
    n-nonanol 61.94
    cyclohexanol 121.09
    benzyl alcohol 137.36
    2-ethylhexanol 59.13
    isooctanol 48.54
    dipropyl ether 54.36
    1,2-dichlorobenzene 51.38
    ethyl lactate 76.26
    propylene carbonate 111.01
    n-methylformamide 290.39
    2-pentanol 116.21
    n-pentane 5.34
    1-propoxy-2-propanol 163.4
    1-methoxy-2-propyl acetate 105.53
    2-(2-methoxypropoxy) propanol 143.16
    mesitylene 18.24
    ε-caprolactone 129.12
    p-cymene 19.15
    epichlorohydrin 235.69
    1,1,1-trichloroethane 83.57
    2-aminoethanol 473.94
    morpholine-4-carbaldehyde 358.32
    sulfolane 177.36
    2,2,4-trimethylpentane 6.21
    2-methyltetrahydrofuran 184.37
    n-hexyl acetate 74.63
    isooctane 3.78
    2-(2-butoxyethoxy)ethanol 211.28
    sec-butyl acetate 54.01
    tert-butyl acetate 63.08
    decalin 6.11
    glycerin 465.77
    diglyme 314.46
    acrylic acid 203.66
    isopropyl myristate 32.13
    n-butyric acid 189.86
    acetyl acetate 74.76
    di(2-ethylhexyl) phthalate 45.58
    ethyl propionate 67.57
    nitromethane 306.59
    1,2-diethoxyethane 132.74
    benzonitrile 89.19
    trioctyl phosphate 27.66
    1-bromopropane 52.03
    gamma-valerolactone 277.89
    n-decanol 46.29
    triethyl phosphate 37.27
    4-methyl-2-pentanol 69.23
    propionitrile 130.78
    vinylene carbonate 116.21
    1,1,2-trichlorotrifluoroethane 257.62
    DMS 82.86
    cumene 22.0
    2-octanol 37.14
    2-hexanone 80.0
    octyl acetate 44.12
    limonene 26.94
    1,2-dimethoxyethane 392.78
    ethyl orthosilicate 37.52
    tributyl phosphate 35.57
    diacetone alcohol 115.16
    N,N-dimethylaniline 81.55
    acrylonitrile 163.63
    aniline 121.51
    1,3-propanediol 373.02
    bromobenzene 47.51
    dibromomethane 95.47
    1,1,2,2-tetrachloroethane 179.09
    2-methyl-cyclohexyl acetate 52.65
    tetrabutyl urea 48.3
    diisobutyl methanol 30.6
    2-phenylethanol 92.7
    styrene 33.62
    dioctyl adipate 46.58
    dimethyl sulfate 133.15
    ethyl butyrate 50.35
    methyl lactate 132.9
    butyl lactate 57.44
    diethyl carbonate 44.19
    propanediol butyl ether 172.82
    triethyl orthoformate 47.57
    p-tert-butyltoluene 18.79
    methyl 4-tert-butylbenzoate 74.38
    morpholine 454.01
    tert-butylamine 113.39
    n-dodecanol 35.31
    dimethoxymethane 292.68
    ethylene carbonate 92.54
    cyrene 124.99
    2-ethoxyethyl acetate 88.22
    2-ethylhexyl acetate 48.47
    1,2,4-trichlorobenzene 72.31
    4-methylpyridine 170.62
    dibutyl ether 49.79
    2,6-dimethyl-4-heptanol 30.6
    DEF 163.38
    dimethyl isosorbide 138.0
    tetrachloroethylene 112.8
    eugenol 90.59
    triacetin 89.36
    span 80 111.22
    1,4-butanediol 229.01
    1,1-dichloroethane 105.97
    2-methyl-1-pentanol 143.97
    methyl formate 185.29
    2-methyl-1-butanol 185.45
    n-decane 5.17
    butyronitrile 120.75
    3,7-dimethyl-1-octanol 64.86
    1-chlorooctane 24.23
    1-chlorotetradecane 10.87
    n-nonane 4.45
    undecane 4.13
    tert-butylcyclohexane 6.85
    cyclooctane 2.71
    cyclopentanol 136.74
    tetrahydropyran 200.57
    tert-amyl methyl ether 91.26
    2,5,8-trioxanonane 237.8
    1-hexene 26.61
    2-isopropoxyethanol 236.71
    2,2,2-trifluoroethanol 115.64
    methyl butyrate 86.67

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction